Facultad de Química

2006

1. 2D supramolecular assemblies of benzene-1,3,5-triyl-tribenzoic acid: Temperature-induced phase transformations and hierarchical organization with macrocyclic molecules

   Journal of the American Chemical Society, Vol. 128, Núm. 49, pp. 15644-15651

2. A TDDFT study of the excited states of DNA bases and their assemblies

   Journal of Physical Chemistry B, Vol. 110, Núm. 14, pp. 7129-7138

3. A convenient method for epichlorohydrin determination in water using headspace-solid-phase microextraction and gas chromatography

   Journal of Chromatographic Science, Vol. 44, Núm. 7, pp. 438-443

4. A metal-free approach to the synthesis of indoline derivatives by a phenyliodine(III) bis(trifluoroacetate)-mediated amidohydroxylation reaction

   Journal of Organic Chemistry, Vol. 71, Núm. 21, pp. 8316-8319

5. A new approach for the two-electron cumulant in natural orbital functional theory

   International Journal of Quantum Chemistry, Vol. 106, Núm. 5, pp. 1093-1104

6. A physically meaningful method for the comparison of potential energy functions

   Journal of Computational Chemistry, Vol. 27, Núm. 2, pp. 238-252

7. A simple asymmetric organocatalytic approach to optically active cyclohexenones

   Chemical Communications, pp. 4928-4930

8. A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: Thermodynamics of the complex formation and metal exchange reactions

   Journal of Inorganic Biochemistry, Vol. 100, Núm. 3, pp. 374-384

9. A study of the use of oscillatory flow to characterize isotactic and syndiotactic poly(propylene)s

   Macromolecular Chemistry and Physics, Vol. 207, Núm. 19, pp. 1781-1788

10. A thermodynamic approach to the fragility of glass-forming polymers

    Journal of Chemical Physics, Vol. 124, Núm. 2

11. Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation

    Physical Review B - Condensed Matter and Materials Physics, Vol. 74, Núm. 19

12. Ab initio study of the nonlinear optics of III-V semiconductors in the terahertz regime

    Physical Review B - Condensed Matter and Materials Physics, Vol. 74, Núm. 24

13. Activation of methane by the iron dimer cation. A theoretical study

    Journal of Physical Chemistry A, Vol. 110, Núm. 45, pp. 12501-12511

14. An activated equivalent of lactide toward organocatalytic ring-opening polymerization

    Journal of the American Chemical Society, Vol. 128, Núm. 51, pp. 16442-16443

15. An advantageous synthesis of new indazolone and pyrazolone derivatives

    Tetrahedron, Vol. 62, Núm. 48, pp. 11100-11105

16. Analogies and differences between two ways to evaluate the global hardness

    Journal of Chemical Physics, Vol. 125, Núm. 24

17. Anisotropic etching of silicon as a tool for creating injection molding tooling surfaces

    Journal of Microelectromechanical Systems, Vol. 15, Núm. 6, pp. 1671-1680

18. Anomalous dynamic arrest in a mixture of large and small particles

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 74, Núm. 2

19. Análisis de la eficiencia de nucleación de diversos agentes en la policaprolactona

    Revista de la Facultad de Ingenieria, Vol. 21, Núm. 3, pp. 105-119

20. Apparent activation energy during surface evolution by step formation and flow

    New Journal of Physics, Vol. 8